Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50385014'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50385014 (CHEMBL2035389) Show SMILES Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H19ClN4O2/c22-15-4-3-5-17(12-15)25-20(27)13-24-16-10-8-14(9-11-16)21(28)26-19-7-2-1-6-18(19)23/h1-12,24H,13,23H2,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Ghasidas University Curated by ChEMBL					Assay Description Inhibition of HDAC1 using Fluor de Lys as substrate by fluorescence analysis				Eur J Med Chem 53: 390-7 (2012) Article DOI: 10.1016/j.ejmech.2012.03.058 BindingDB Entry DOI: 10.7270/Q25M66QJ
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